5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile

C8H11N3O — CID 66008659

IUPAC5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(N)o1
InChIInChI=1S/C8H11N3O/c1-5(2)3-7-11-6(4-9)8(10)12-7/h5H,3,10H2,1-2H3
InChIKeySLPCJMOIVJSWSS-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.33
Rot. Bonds2

About 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile

5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile (PubChem CID 66008659) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
PubChem CID66008659
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
SMILESCC(C)Cc1nc(C#N)c(N)o1
InChIInChI=1S/C8H11N3O/c1-5(2)3-7-11-6(4-9)8(10)12-7/h5H,3,10H2,1-2H3
InChIKeySLPCJMOIVJSWSS-UHFFFAOYSA-N
XLogP1.33
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-2-methyl-1,3-oxazole-4-carbonitrile
CID 281137
5-Hydrazinyl-2-(propan-2-yl)-1,3-oxazole-4-carbonitrile
CID 933895
5-Amino-2-cyclopropyl-1,3-oxazole-4-carbonitrile
CID 388805
5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile
CID 391651
2-(2-Methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2132012
5-Amino-2-ethyl-1,3-oxazole-4-carbonitrile
CID 281138
5-Amino-2-cyclobutyloxazole-4-carbonitrile
CID 389103
2-Acetyl-5-amino-1,3-oxazole-4-carbonitrile
CID 389350
N-(4-cyano-2-methyl-oxazol-5-yl)acetamide
CID 391476
5-Amino-2-cyclohexyl-1,3-oxazole-4-carbonitrile
CID 11506610
5-Amino-2-propyloxazole-4-carbonitrile
CID 64246461
5-Amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile
CID 66008453

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile (CID 66008659) is 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile is CC(C)Cc1nc(C#N)c(N)o1.
What is the InChIKey of 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is SLPCJMOIVJSWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5(2)3-7-11-6(4-9)8(10)12-7/h5H,3,10H2,1-2H3.
What are the key properties of 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66008659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).